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3,4-SECO-19(10-9)-ABEO-8-ALPHA,9-BETA,10-ALPHA-EUPHA-4,24-DIEN-3-OL-3-ACETATE-(20R);ISOHELIANOLACATATE
SpectraBase Compound ID 6RArLJUsYhd
InChI InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey FXXCHJHHOYCYGY-WIZFRBBASA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeGradQ1TAJ
Name 3,4-SECO-19(10-9)-ABEO-8-ALPHA,9-BETA,10-ALPHA-EUPHA-4,24-DIEN-3-OL-3-ACETATE-(20R);ISOHELIANOLACATATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1
InChIKey FXXCHJHHOYCYGY-WIZFRBBASA-N
Literature Reference Author T.AKIHISA,Y.KIMURA,K.KOIKE,T.SHIBATA,Z.Y.YOSHIDA,T.NIKAIDO,T .TAMURA
Literature Reference Citation J.NAT.PROD.,61,409(1998)
Literature Reference DOI 10.1021/np970490h
Molecular Weight 470.780 g/mol
Solvent CDCl3
Source File Reference UWGS28